2-[[(4-cyanophenyl)amino]methyl]-N-(3-ethylperoxypropyl)-1-methyl-N-pyridin-2-yl-benzimidazole-5-carboxamide

Systemtic Name: 2-[[(4-cyanophenyl)amino]methyl]-N-(3-ethylperoxypropyl)-1-methyl-N-pyridin-2-yl-benzimidazole-5-carboxamide Openeye Name: 2-[(4-cyanoanilino)methyl]-N-(3-ethylperoxypropyl)-1-methyl-N-(2-pyridyl)benzimidazole-5-carboxamide CAS Name: 2-[(4-cyanoanilino)methyl]-N-(3-ethyldioxypropyl)-1-methyl-N-(2-pyridinyl)-5-benzimidazolecarboxamide IUPAC Name: 2-[(4-cyanoanilino)methyl]-N-(3-ethylperoxypropyl)-1-methyl-N-pyridin-2-ylbenzimidazole-5-carboxamide Traditional Name: 2-[(4-cyanoanilino)methyl]-N-(3-ethylperoxypropyl)-1-methyl-N-(2-pyridyl)benzimidazole-5-carboxamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CCOOCCCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOOCCCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H28N6O3/c1-3-35-36-16-6-15-33(25-7-4-5-14-29-25)27(34)21-10-13-24-23(17-21)31-26(32(24)2)19-30-22-11-8-20(18-28)9-12-22/h4-5,7-14,17,30H,3,6,15-16,19H2,1-2H3